1-(7-chloranyl-1-methyl-2-oxidanylidene-5-thiophen-3-yl-3H-1,4-benzodiazepin-3-yl)-3-(4-piperidin-1-ylnaphthalen-1-yl)thiourea

Systemtic Name: 1-(7-chloranyl-1-methyl-2-oxidanylidene-5-thiophen-3-yl-3H-1,4-benzodiazepin-3-yl)-3-(4-piperidin-1-ylnaphthalen-1-yl)thiourea Openeye Name: 1-[7-chloro-1-methyl-2-oxo-5-(3-thienyl)-3H-1,4-benzodiazepin-3-yl]-3-[4-(1-piperidyl)-1-naphthyl]thiourea CAS Name: 1-[7-chloro-1-methyl-2-oxo-5-(3-thiophenyl)-3H-1,4-benzodiazepin-3-yl]-3-[4-(1-piperidinyl)-1-naphthalenyl]thiourea IUPAC Name: 1-(7-chloro-1-methyl-2-oxo-5-thiophen-3-yl-3H-1,4-benzodiazepin-3-yl)-3-(4-piperidin-1-ylnaphthalen-1-yl)thiourea Traditional Name: 1-[7-chloro-2-keto-1-methyl-5-(3-thienyl)-3H-1,4-benzodiazepin-3-yl]-3-(4-piperidino-1-naphthyl)thiourea Formula: C30H28ClN5OS2 MolecularWeight: 574.15922

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)NC(=S)NC3=CC=C(C4=CC=CC=C43)N5CCCCC5)C6=CSC=C6

Isomeric SMILES

CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)NC(=S)NC3=CC=C(C4=CC=CC=C43)N5CCCCC5)C6=CSC=C6

InChI

InChI=1S/C30H28ClN5OS2/c1-35-25-11-9-20(31)17-23(25)27(19-13-16-39-18-19)33-28(29(35)37)34-30(38)32-24-10-12-26(36-14-5-2-6-15-36)22-8-4-3-7-21(22)24/h3-4,7-13,16-18,28H,2,5-6,14-15H2,1H3,(H2,32,34,38)