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

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-3,4-dimethyl-benzamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-3,4-dimethyl-benzamide CAS Name: N-[[[4-(1,3-benzothiazol-2-yl)phenyl]methylamino]-sulfanylidenemethyl]-3,4-dimethylbenzamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-3,4-dimethylbenzamide Traditional Name: N-[[4-(1,3-benzothiazol-2-yl)benzyl]thiocarbamoyl]-3,4-dimethyl-benzamide Formula: C24H21N3OS2 MolecularWeight: 431.57304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C24H21N3OS2/c1-15-7-10-19(13-16(15)2)22(28)27-24(29)25-14-17-8-11-18(12-9-17)23-26-20-5-3-4-6-21(20)30-23/h3-13H,14H2,1-2H3,(H2,25,27,28,29)