1-[3-(2-azanylethylsulfanylmethyl)phenyl]-3-[(3R)-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea

Systemtic Name: 1-[3-(2-azanylethylsulfanylmethyl)phenyl]-3-[(3R)-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea Openeye Name: 1-[3-(2-aminoethylsulfanylmethyl)phenyl]-3-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea CAS Name: 1-[3-[(2-aminoethylthio)methyl]phenyl]-3-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea IUPAC Name: 1-[3-(2-aminoethylsulfanylmethyl)phenyl]-3-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea Traditional Name: 1-[3-[(2-aminoethylthio)methyl]phenyl]-3-[(3R)-2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea Formula: C26H27N5O2S MolecularWeight: 473.58988

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC(=C3)CSCCN)C4=CC=CC=C4

Isomeric SMILES

CN1C2=CC=CC=C2C(=N[C@H](C1=O)NC(=O)NC3=CC=CC(=C3)CSCCN)C4=CC=CC=C4

InChI

InChI=1S/C26H27N5O2S/c1-31-22-13-6-5-12-21(22)23(19-9-3-2-4-10-19)29-24(25(31)32)30-26(33)28-20-11-7-8-18(16-20)17-34-15-14-27/h2-13,16,24H,14-15,17,27H2,1H3,(H2,28,30,33)/t24-/m0/s1