N-[4-[[C-[3-(4-methylpiperazin-1-yl)propyl]-N-propan-2-yl-carbonimidoyl]carbamoylamino]phenyl]ethanamide

Systemtic Name: N-[4-[[C-[3-(4-methylpiperazin-1-yl)propyl]-N-propan-2-yl-carbonimidoyl]carbamoylamino]phenyl]ethanamide Openeye Name: N-[4-[[N-isopropyl-C-[3-(4-methylpiperazin-1-yl)propyl]carbonimidoyl]carbamoylamino]phenyl]acetamide CAS Name: N-[4-[[[[4-(4-methyl-1-piperazinyl)-1-propan-2-yliminobutyl]amino]-oxomethyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[C-[3-(4-methylpiperazin-1-yl)propyl]-N-propan-2-ylcarbonimidoyl]carbamoylamino]phenyl]acetamide Traditional Name: N-[4-[[N-isopropyl-C-[3-(4-methylpiperazino)propyl]carbonimidoyl]carbamoylamino]phenyl]acetamide Formula: C21H34N6O2 MolecularWeight: 402.53366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N=C(CCCN1CCN(CC1)C)NC(=O)NC2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC(C)N=C(CCCN1CCN(CC1)C)NC(=O)NC2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C21H34N6O2/c1-16(2)22-20(6-5-11-27-14-12-26(4)13-15-27)25-21(29)24-19-9-7-18(8-10-19)23-17(3)28/h7-10,16H,5-6,11-15H2,1-4H3,(H,23,28)(H2,22,24,25,29)