N-[[[4-[(3-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]pentanamide

Systemtic Name: N-[[[4-[(3-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]pentanamide Openeye Name: N-[[[4-(3-chloro-2-methyl-anilino)-4-oxo-butanoyl]amino]carbamothioyl]pentanamide CAS Name: N-[[[4-(3-chloro-2-methylanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[[4-(3-chloro-2-methylanilino)-4-oxobutanoyl]amino]carbamothioyl]pentanamide Traditional Name: N-[[[4-(3-chloro-2-methyl-anilino)-4-keto-butanoyl]amino]thiocarbamoyl]valeramide Formula: C17H23ClN4O3S MolecularWeight: 398.90752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NNC(=O)CCC(=O)NC1=C(C(=CC=C1)Cl)C

Isomeric SMILES

CCCCC(=O)NC(=S)NNC(=O)CCC(=O)NC1=C(C(=CC=C1)Cl)C

InChI

InChI=1S/C17H23ClN4O3S/c1-3-4-8-14(23)20-17(26)22-21-16(25)10-9-15(24)19-13-7-5-6-12(18)11(13)2/h5-7H,3-4,8-10H2,1-2H3,(H,19,24)(H,21,25)(H2,20,22,23,26)