1-[3-[4-(4-phenylpiperazin-1-yl)butoxy]phenyl]thiourea

Systemtic Name: 1-[3-[4-(4-phenylpiperazin-1-yl)butoxy]phenyl]thiourea Openeye Name: [3-[4-(4-phenylpiperazin-1-yl)butoxy]phenyl]thiourea CAS Name: [3-[4-(4-phenyl-1-piperazinyl)butoxy]phenyl]thiourea IUPAC Name: [3-[4-(4-phenylpiperazin-1-yl)butoxy]phenyl]thiourea Traditional Name: [3-[4-(4-phenylpiperazino)butoxy]phenyl]thiourea Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCOC2=CC=CC(=C2)NC(=S)N)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CCCCOC2=CC=CC(=C2)NC(=S)N)C3=CC=CC=C3

InChI

InChI=1S/C21H28N4OS/c22-21(27)23-18-7-6-10-20(17-18)26-16-5-4-11-24-12-14-25(15-13-24)19-8-2-1-3-9-19/h1-3,6-10,17H,4-5,11-16H2,(H3,22,23,27)