[4-(diphenylmethyl)piperazin-1-yl]-(4-ethoxy-3-methoxy-phenyl)methanethione

Systemtic Name: [4-(diphenylmethyl)piperazin-1-yl]-(4-ethoxy-3-methoxy-phenyl)methanethione Openeye Name: (4-benzhydrylpiperazin-1-yl)-(4-ethoxy-3-methoxy-phenyl)methanethione CAS Name: [4-(diphenylmethyl)-1-piperazinyl]-(4-ethoxy-3-methoxyphenyl)methanethione IUPAC Name: (4-benzhydrylpiperazin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanethione Traditional Name: (4-benzhydrylpiperazino)-(4-ethoxy-3-methoxy-phenyl)methanethione Formula: C27H30N2O2S MolecularWeight: 446.6043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C27H30N2O2S/c1-3-31-24-15-14-23(20-25(24)30-2)27(32)29-18-16-28(17-19-29)26(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-15,20,26H,3,16-19H2,1-2H3