N-[1-[[1-methyl-2-oxidanylidene-5-(1,3-thiazol-2-yl)-3H-1,4-benzodiazepin-3-yl]amino]-1-oxidanylidene-propan-2-yl]-4-thiophen-2-yl-butanamide

Systemtic Name: N-[1-[[1-methyl-2-oxidanylidene-5-(1,3-thiazol-2-yl)-3H-1,4-benzodiazepin-3-yl]amino]-1-oxidanylidene-propan-2-yl]-4-thiophen-2-yl-butanamide Openeye Name: N-[1-methyl-2-[(1-methyl-2-oxo-5-thiazol-2-yl-3H-1,4-benzodiazepin-3-yl)amino]-2-oxo-ethyl]-4-(2-thienyl)butanamide CAS Name: N-[1-[[1-methyl-2-oxo-5-(2-thiazolyl)-3H-1,4-benzodiazepin-3-yl]amino]-1-oxopropan-2-yl]-4-thiophen-2-ylbutanamide IUPAC Name: N-[1-[[1-methyl-2-oxo-5-(1,3-thiazol-2-yl)-3H-1,4-benzodiazepin-3-yl]amino]-1-oxopropan-2-yl]-4-thiophen-2-ylbutanamide Traditional Name: N-[2-keto-2-[(2-keto-1-methyl-5-thiazol-2-yl-3H-1,4-benzodiazepin-3-yl)amino]-1-methyl-ethyl]-4-(2-thienyl)butyramide Formula: C24H25N5O3S2 MolecularWeight: 495.617

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=NC=CS3)C)NC(=O)CCCC4=CC=CS4

Isomeric SMILES

CC(C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=NC=CS3)C)NC(=O)CCCC4=CC=CS4

InChI

InChI=1S/C24H25N5O3S2/c1-15(26-19(30)11-5-7-16-8-6-13-33-16)22(31)28-21-24(32)29(2)18-10-4-3-9-17(18)20(27-21)23-25-12-14-34-23/h3-4,6,8-10,12-15,21H,5,7,11H2,1-2H3,(H,26,30)(H,28,31)