[1-(2-azanyl-3-sulfanyl-propyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-naphthalen-1-yl-methanone

Systemtic Name: [1-(2-azanyl-3-sulfanyl-propyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-naphthalen-1-yl-methanone Openeye Name: [1-(2-amino-3-sulfanyl-propyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-(1-naphthyl)methanone CAS Name: [1-(2-amino-3-mercaptopropyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-(1-naphthalenyl)methanone IUPAC Name: [1-(2-amino-3-sulfanylpropyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-naphthalen-1-ylmethanone Traditional Name: [1-(2-amino-3-mercapto-propyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-(1-naphthyl)methanone Formula: C29H29N3OS MolecularWeight: 467.62506

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C(CN1C(=O)C3=CC=CC4=CC=CC=C43)C=C(C=C2)C5=CC=CC=C5)CC(CS)N

Isomeric SMILES

C1CN(C2=C(CN1C(=O)C3=CC=CC4=CC=CC=C43)C=C(C=C2)C5=CC=CC=C5)CC(CS)N

InChI

InChI=1S/C29H29N3OS/c30-25(20-34)19-31-15-16-32(29(33)27-12-6-10-22-9-4-5-11-26(22)27)18-24-17-23(13-14-28(24)31)21-7-2-1-3-8-21/h1-14,17,25,34H,15-16,18-20,30H2