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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)NCC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCC(=O)NC(=S)NCC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H17N3OS2/c1-2-16(22)21-18(23)19-11-12-7-9-13(10-8-12)17-20-14-5-3-4-6-15(14)24-17/h3-10H,2,11H2,1H3,(H2,19,21,22,23)