3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chlorophenyl)propanamide; ethyl N-phenylmethanimidothioate

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chlorophenyl)propanamide; ethyl N-phenylmethanimidothioate Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chlorophenyl)propanamide; ethyl N-phenylmethanimidothioate CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-(2-chlorophenyl)propanamide; N-phenylmethanimidothioic acid ethyl ester IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chlorophenyl)propanamide; ethyl N-phenylmethanimidothioate Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-(2-chlorophenyl)propionamide; N-phenylthioformimidic acid ethyl ester Formula: C25H24ClN3OS3 MolecularWeight: 514.12556

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Descriptors Computed from Structure

Canonical SMILES:

CCSC=NC1=CC=CC=C1.C1=CC=C2C(=C1)N=C(S2)SCCC(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

CCSC=NC1=CC=CC=C1.C1=CC=C2C(=C1)N=C(S2)SCCC(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C16H13ClN2OS2.C9H11NS/c17-11-5-1-2-6-12(11)18-15(20)9-10-21-16-19-13-7-3-4-8-14(13)22-16;1-2-11-8-10-9-6-4-3-5-7-9/h1-8H,9-10H2,(H,18,20);3-8H,2H2,1H3