(3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)-[4-(2-chlorophenyl)piperazin-1-yl]methanethione

Systemtic Name: (3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)-[4-(2-chlorophenyl)piperazin-1-yl]methanethione Openeye Name: (3-chloro-5-methoxy-4-prop-2-ynoxy-phenyl)-[4-(2-chlorophenyl)piperazin-1-yl]methanethione CAS Name: (3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)-[4-(2-chlorophenyl)-1-piperazinyl]methanethione IUPAC Name: (3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)-[4-(2-chlorophenyl)piperazin-1-yl]methanethione Traditional Name: (3-chloro-5-methoxy-4-propargyloxy-phenyl)-[4-(2-chlorophenyl)piperazino]methanethione Formula: C21H20Cl2N2O2S MolecularWeight: 435.3667

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=S)N2CCN(CC2)C3=CC=CC=C3Cl)Cl)OCC#C

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=S)N2CCN(CC2)C3=CC=CC=C3Cl)Cl)OCC#C

InChI

InChI=1S/C21H20Cl2N2O2S/c1-3-12-27-20-17(23)13-15(14-19(20)26-2)21(28)25-10-8-24(9-11-25)18-7-5-4-6-16(18)22/h1,4-7,13-14H,8-12H2,2H3