1-(3-methylphenyl)-3-(2-oxidanylidene-1-propyl-5-thiomorpholin-4-yl-3H-1,4-benzodiazepin-3-yl)urea

Systemtic Name: 1-(3-methylphenyl)-3-(2-oxidanylidene-1-propyl-5-thiomorpholin-4-yl-3H-1,4-benzodiazepin-3-yl)urea Openeye Name: 1-(m-tolyl)-3-(2-oxo-1-propyl-5-thiomorpholino-3H-1,4-benzodiazepin-3-yl)urea CAS Name: 1-(3-methylphenyl)-3-(2-oxo-1-propyl-5-thiomorpholin-4-yl-3H-1,4-benzodiazepin-3-yl)urea IUPAC Name: 1-(3-methylphenyl)-3-(2-oxo-1-propyl-5-thiomorpholin-4-yl-3H-1,4-benzodiazepin-3-yl)urea Traditional Name: 1-(2-keto-1-propyl-5-thiomorpholino-3H-1,4-benzodiazepin-3-yl)-3-(m-tolyl)urea Formula: C24H29N5O2S MolecularWeight: 451.58436

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC(=C3)C)N4CCSCC4

Isomeric SMILES

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC(=C3)C)N4CCSCC4

InChI

InChI=1S/C24H29N5O2S/c1-3-11-29-20-10-5-4-9-19(20)22(28-12-14-32-15-13-28)26-21(23(29)30)27-24(31)25-18-8-6-7-17(2)16-18/h4-10,16,21H,3,11-15H2,1-2H3,(H2,25,27,31)