naphthalen-2-ylmethyl N'-(6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepin-8-yl)carbamimidothioate

Systemtic Name: naphthalen-2-ylmethyl N'-(6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepin-8-yl)carbamimidothioate Openeye Name: 2-(2-naphthylmethyl)-3-(6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-8-yl)isothiourea CAS Name: N'-(6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-8-yl)carbamimidothioic acid 2-naphthalenylmethyl ester IUPAC Name: naphthalen-2-ylmethyl N'-(6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-8-yl)carbamimidothioate Traditional Name: 3-(6-keto-5,11-dihydrobenzo[b][1,4]benzodiazepin-8-yl)-2-(2-naphthylmethyl)isothiourea Formula: C25H20N4OS MolecularWeight: 424.5175

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CSC(=NC3=CC4=C(C=C3)NC5=CC=CC=C5NC4=O)N

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CSC(=NC3=CC4=C(C=C3)NC5=CC=CC=C5NC4=O)N

InChI

InChI=1S/C25H20N4OS/c26-25(31-15-16-9-10-17-5-1-2-6-18(17)13-16)27-19-11-12-21-20(14-19)24(30)29-23-8-4-3-7-22(23)28-21/h1-14,28H,15H2,(H2,26,27)(H,29,30)