[2-[2-[(4-methylpiperazin-1-yl)carbonylamino]-3-phenyl-propyl]phenyl]sulfanyl carbamate

Systemtic Name: [2-[2-[(4-methylpiperazin-1-yl)carbonylamino]-3-phenyl-propyl]phenyl]sulfanyl carbamate Openeye Name: [2-[2-[(4-methylpiperazine-1-carbonyl)amino]-3-phenyl-propyl]phenyl]sulfanyl carbamate CAS Name: 2-[2-[[(4-methyl-1-piperazinyl)-oxomethyl]amino]-3-phenylpropyl]benzenesulfenic acid carbamoyl ester IUPAC Name: [2-[2-[(4-methylpiperazine-1-carbonyl)amino]-3-phenylpropyl]phenyl]sulfanyl carbamate Traditional Name: carbamic acid [[2-[2-[(4-methylpiperazine-1-carbonyl)amino]-3-phenyl-propyl]phenyl]thio] ester Formula: C22H28N4O3S MolecularWeight: 428.54772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)NC(CC2=CC=CC=C2)CC3=CC=CC=C3SOC(=O)N

Isomeric SMILES

CN1CCN(CC1)C(=O)NC(CC2=CC=CC=C2)CC3=CC=CC=C3SOC(=O)N

InChI

InChI=1S/C22H28N4O3S/c1-25-11-13-26(14-12-25)22(28)24-19(15-17-7-3-2-4-8-17)16-18-9-5-6-10-20(18)30-29-21(23)27/h2-10,19H,11-16H2,1H3,(H2,23,27)(H,24,28)