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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)CNC(=S)NC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)CNC(=S)NC(=O)C4=CC=CS4

InChI

InChI=1S/C20H15N3OS3/c24-18(17-6-3-11-26-17)23-20(25)21-12-13-7-9-14(10-8-13)19-22-15-4-1-2-5-16(15)27-19/h1-11H,12H2,(H2,21,23,24,25)