S-[[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]amino] N-(phenylcarbonyl)carbamothioate

Systemtic Name: S-[[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]amino] N-(phenylcarbonyl)carbamothioate Openeye Name: S-[4-[3-(4-phenylpiperazin-1-yl)propoxy]anilino] N-benzoylcarbamothioate CAS Name: N-benzoylcarbamothioic acid S-[4-[3-(4-phenyl-1-piperazinyl)propoxy]anilino] ester IUPAC Name: S-[4-[3-(4-phenylpiperazin-1-yl)propoxy]anilino] N-benzoylcarbamothioate Traditional Name: N-benzoylthiocarbamic acid S-[4-[3-(4-phenylpiperazino)propoxy]anilino] ester Formula: C27H30N4O3S MolecularWeight: 490.6171

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC2=CC=C(C=C2)NSC(=O)NC(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCCOC2=CC=C(C=C2)NSC(=O)NC(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H30N4O3S/c32-26(22-8-3-1-4-9-22)28-27(33)35-29-23-12-14-25(15-13-23)34-21-7-16-30-17-19-31(20-18-30)24-10-5-2-6-11-24/h1-6,8-15,29H,7,16-21H2,(H,28,32,33)