1-[(E)-[3-methyl-2-(4-methylpiperazin-1-yl)carbonyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]-3-phenyl-thiourea

Systemtic Name: 1-[(E)-[3-methyl-2-(4-methylpiperazin-1-yl)carbonyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]-3-phenyl-thiourea Openeye Name: 1-[(E)-[3-methyl-2-(4-methylpiperazine-1-carbonyl)-6,7-dihydro-5H-benzofuran-4-ylidene]amino]-3-phenyl-thiourea CAS Name: 1-[(E)-[3-methyl-2-[(4-methyl-1-piperazinyl)-oxomethyl]-6,7-dihydro-5H-benzofuran-4-ylidene]amino]-3-phenylthiourea IUPAC Name: 1-[(E)-[3-methyl-2-(4-methylpiperazine-1-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]-3-phenylthiourea Traditional Name: 1-[(E)-[3-methyl-2-(4-methylpiperazine-1-carbonyl)-6,7-dihydro-5H-benzofuran-4-ylidene]amino]-3-phenyl-thiourea Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=S)NC3=CC=CC=C3)CCC2)C(=O)N4CCN(CC4)C

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=S)NC3=CC=CC=C3)/CCC2)C(=O)N4CCN(CC4)C

InChI

InChI=1S/C22H27N5O2S/c1-15-19-17(24-25-22(30)23-16-7-4-3-5-8-16)9-6-10-18(19)29-20(15)21(28)27-13-11-26(2)12-14-27/h3-5,7-8H,6,9-14H2,1-2H3,(H2,23,25,30)/b24-17+