1-[2-methoxy-5-[4-(4-phenylpiperazin-1-yl)butanoyl]phenyl]thiourea

Systemtic Name: 1-[2-methoxy-5-[4-(4-phenylpiperazin-1-yl)butanoyl]phenyl]thiourea Openeye Name: [2-methoxy-5-[4-(4-phenylpiperazin-1-yl)butanoyl]phenyl]thiourea CAS Name: [2-methoxy-5-[1-oxo-4-(4-phenyl-1-piperazinyl)butyl]phenyl]thiourea IUPAC Name: [2-methoxy-5-[4-(4-phenylpiperazin-1-yl)butanoyl]phenyl]thiourea Traditional Name: [2-methoxy-5-[4-(4-phenylpiperazino)butanoyl]phenyl]thiourea Formula: C22H28N4O2S MolecularWeight: 412.54832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CCCN2CCN(CC2)C3=CC=CC=C3)NC(=S)N

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CCCN2CCN(CC2)C3=CC=CC=C3)NC(=S)N

InChI

InChI=1S/C22H28N4O2S/c1-28-21-10-9-17(16-19(21)24-22(23)29)20(27)8-5-11-25-12-14-26(15-13-25)18-6-3-2-4-7-18/h2-4,6-7,9-10,16H,5,8,11-15H2,1H3,(H3,23,24,29)