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

Systemtic Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]cyclopentanecarboxamide Openeye Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]cyclopentanecarboxamide CAS Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]cyclopentanecarboxamide IUPAC Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]cyclopentanecarboxamide Traditional Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiocarbamoyl]cyclopentanecarboxamide Formula: C21H21N3OS2 MolecularWeight: 395.54094

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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)C4CCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC(=O)C4CCCC4

InChI

InChI=1S/C21H21N3OS2/c1-13-6-11-17-18(12-13)27-20(23-17)15-7-9-16(10-8-15)22-21(26)24-19(25)14-4-2-3-5-14/h6-12,14H,2-5H2,1H3,(H2,22,24,25,26)