N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-chloranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: N-[[(6-butyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[(6-butyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-3-chloro-benzothiophene-2-carboxamide Formula: C21H18ClN3OS3 MolecularWeight: 460.03512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H18ClN3OS3/c1-2-3-6-12-9-10-14-16(11-12)29-21(23-14)25-20(27)24-19(26)18-17(22)13-7-4-5-8-15(13)28-18/h4-5,7-11H,2-3,6H2,1H3,(H2,23,24,25,26,27)