(3-azanyl-3-oxidanylidene-propyl) N-[1-(phenylmethyl)benzimidazol-2-yl]carbamodithioate

Systemtic Name: (3-azanyl-3-oxidanylidene-propyl) N-[1-(phenylmethyl)benzimidazol-2-yl]carbamodithioate Openeye Name: (3-amino-3-oxo-propyl) N-(1-benzylbenzimidazol-2-yl)carbamodithioate CAS Name: N-[1-(phenylmethyl)-2-benzimidazolyl]carbamodithioic acid (3-amino-3-oxopropyl) ester IUPAC Name: (3-amino-3-oxopropyl) N-(1-benzylbenzimidazol-2-yl)carbamodithioate Traditional Name: N-(1-benzylbenzimidazol-2-yl)carbamodithioic acid (3-amino-3-keto-propyl) ester Formula: C18H18N4OS2 MolecularWeight: 370.49172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2NC(=S)SCCC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2NC(=S)SCCC(=O)N

InChI

InChI=1S/C18H18N4OS2/c19-16(23)10-11-25-18(24)21-17-20-14-8-4-5-9-15(14)22(17)12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H2,19,23)(H,20,21,24)