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

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[4-(1,3-benzothiazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]thiophene-2-carboxamide Formula: C20H15N3OS3 MolecularWeight: 409.5476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)C4=CC=CS4

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)C4=CC=CS4

InChI

InChI=1S/C20H15N3OS3/c1-12-11-13(19-21-15-5-2-3-6-16(15)27-19)8-9-14(12)22-20(25)23-18(24)17-7-4-10-26-17/h2-11H,1H3,(H2,22,23,24,25)