2-chloranyl-N-[4-methylsulfanyl-1-oxidanylidene-1-[4-[2-oxidanylidene-2-(propylamino)ethyl]piperazin-1-yl]butan-2-yl]benzamide

Systemtic Name: 2-chloranyl-N-[4-methylsulfanyl-1-oxidanylidene-1-[4-[2-oxidanylidene-2-(propylamino)ethyl]piperazin-1-yl]butan-2-yl]benzamide Openeye Name: 2-chloro-N-[3-methylsulfanyl-1-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carbonyl]propyl]benzamide CAS Name: 2-chloro-N-[4-(methylthio)-1-oxo-1-[4-[2-oxo-2-(propylamino)ethyl]-1-piperazinyl]butan-2-yl]benzamide IUPAC Name: 2-chloro-N-[4-methylsulfanyl-1-oxo-1-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]butan-2-yl]benzamide Traditional Name: 2-chloro-N-[1-[4-[2-keto-2-(propylamino)ethyl]piperazine-1-carbonyl]-3-(methylthio)propyl]benzamide Formula: C21H31ClN4O3S MolecularWeight: 455.01384

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN1CCN(CC1)C(=O)C(CCSC)NC(=O)C2=CC=CC=C2Cl

Isomeric SMILES

CCCNC(=O)CN1CCN(CC1)C(=O)C(CCSC)NC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C21H31ClN4O3S/c1-3-9-23-19(27)15-25-10-12-26(13-11-25)21(29)18(8-14-30-2)24-20(28)16-6-4-5-7-17(16)22/h4-7,18H,3,8-15H2,1-2H3,(H,23,27)(H,24,28)