2-(aminocarbonylamino)-N-[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]-4-methylsulfanyl-butanamide

Systemtic Name: 2-(aminocarbonylamino)-N-[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]-4-methylsulfanyl-butanamide Openeye Name: N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-4-methylsulfanyl-2-ureido-butanamide CAS Name: 2-(carbamoylamino)-N-[3-chloro-4-(3-oxo-1-piperazinyl)phenyl]-4-(methylthio)butanamide IUPAC Name: 2-(carbamoylamino)-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-4-methylsulfanylbutanamide Traditional Name: N-[3-chloro-4-(3-ketopiperazino)phenyl]-4-(methylthio)-2-ureido-butyramide Formula: C16H22ClN5O3S MolecularWeight: 399.89558

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC(=C(C=C1)N2CCNC(=O)C2)Cl)NC(=O)N

Isomeric SMILES

CSCCC(C(=O)NC1=CC(=C(C=C1)N2CCNC(=O)C2)Cl)NC(=O)N

InChI

InChI=1S/C16H22ClN5O3S/c1-26-7-4-12(21-16(18)25)15(24)20-10-2-3-13(11(17)8-10)22-6-5-19-14(23)9-22/h2-3,8,12H,4-7,9H2,1H3,(H,19,23)(H,20,24)(H3,18,21,25)