N-ethyl-N-[2-[ethyl-[(4-methylsulfanylphenyl)methyl]amino]ethyl]-4-oxidanylidene-4-(6-oxidanylidene-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)butanamide

Systemtic Name: N-ethyl-N-[2-[ethyl-[(4-methylsulfanylphenyl)methyl]amino]ethyl]-4-oxidanylidene-4-(6-oxidanylidene-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)butanamide Openeye Name: N-ethyl-N-[2-[ethyl-[(4-methylsulfanylphenyl)methyl]amino]ethyl]-4-oxo-4-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)butanamide CAS Name: N-ethyl-N-[2-[ethyl-[[4-(methylthio)phenyl]methyl]amino]ethyl]-4-oxo-4-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)butanamide IUPAC Name: N-ethyl-N-[2-[ethyl-[(4-methylsulfanylphenyl)methyl]amino]ethyl]-4-oxo-4-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)butanamide Traditional Name: N-ethyl-N-[2-[ethyl-[4-(methylthio)benzyl]amino]ethyl]-4-keto-4-(6-keto-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)butyramide Formula: C30H35N5O3S MolecularWeight: 545.6956

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCN(CC)C(=O)CCC(=O)N1C2=CC=CC=C2C(=O)NC3=C1N=CC=C3)CC4=CC=C(C=C4)SC

Isomeric SMILES

CCN(CCN(CC)C(=O)CCC(=O)N1C2=CC=CC=C2C(=O)NC3=C1N=CC=C3)CC4=CC=C(C=C4)SC

InChI

InChI=1S/C30H35N5O3S/c1-4-33(21-22-12-14-23(39-3)15-13-22)19-20-34(5-2)27(36)16-17-28(37)35-26-11-7-6-9-24(26)30(38)32-25-10-8-18-31-29(25)35/h6-15,18H,4-5,16-17,19-21H2,1-3H3,(H,32,38)