N-[[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]propanamide

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]propanamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]propanamide CAS Name: N-[[4-(1,3-benzothiazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]propanamide Traditional Name: N-[[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]propionamide Formula: C18H17N3OS2 MolecularWeight: 355.47708

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)NC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CCC(=O)NC(=S)NC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C18H17N3OS2/c1-3-16(22)21-18(23)20-13-9-8-12(10-11(13)2)17-19-14-6-4-5-7-15(14)24-17/h4-10H,3H2,1-2H3,(H2,20,21,22,23)