N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-phenyl-propanamide

Systemtic Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-phenyl-propanamide Openeye Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-phenyl-propanamide CAS Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]-3-phenylpropanamide IUPAC Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-phenylpropanamide Traditional Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiocarbamoyl]-3-phenyl-propionamide Formula: C24H21N3OS2 MolecularWeight: 431.57304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC(=O)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C24H21N3OS2/c1-16-7-13-20-21(15-16)30-23(26-20)18-9-11-19(12-10-18)25-24(29)27-22(28)14-8-17-5-3-2-4-6-17/h2-7,9-13,15H,8,14H2,1H3,(H2,25,27,28,29)