N-[4-chloranyl-3-(phenylcarbamothioylamino)phenyl]butanamide

Systemtic Name: N-[4-chloranyl-3-(phenylcarbamothioylamino)phenyl]butanamide Openeye Name: N-[4-chloro-3-(phenylcarbamothioylamino)phenyl]butanamide CAS Name: N-[3-[[anilino(sulfanylidene)methyl]amino]-4-chlorophenyl]butanamide IUPAC Name: N-[4-chloro-3-(phenylcarbamothioylamino)phenyl]butanamide Traditional Name: N-[4-chloro-3-(phenylthiocarbamoylamino)phenyl]butyramide Formula: C17H18ClN3OS MolecularWeight: 347.86232

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC2=CC=CC=C2

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C17H18ClN3OS/c1-2-6-16(22)19-13-9-10-14(18)15(11-13)21-17(23)20-12-7-4-3-5-8-12/h3-5,7-11H,2,6H2,1H3,(H,19,22)(H2,20,21,23)