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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(=S)NCC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(=S)NCC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3

InChI

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