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

Systemtic Name: 1-[(E)-[3-methyl-2-(4-phenylpiperazin-1-yl)carbonyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]-3-phenyl-thiourea Openeye Name: 1-[(E)-[3-methyl-2-(4-phenylpiperazine-1-carbonyl)-6,7-dihydro-5H-benzofuran-4-ylidene]amino]-3-phenyl-thiourea CAS Name: 1-[(E)-[3-methyl-2-[oxo-(4-phenyl-1-piperazinyl)methyl]-6,7-dihydro-5H-benzofuran-4-ylidene]amino]-3-phenylthiourea IUPAC Name: 1-[(E)-[3-methyl-2-(4-phenylpiperazine-1-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]-3-phenylthiourea Traditional Name: 1-[(E)-[3-methyl-2-(4-phenylpiperazine-1-carbonyl)-6,7-dihydro-5H-benzofuran-4-ylidene]amino]-3-phenyl-thiourea Formula: C27H29N5O2S MolecularWeight: 487.61646

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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)C5=CC=CC=C5

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=S)NC3=CC=CC=C3)/CCC2)C(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H29N5O2S/c1-19-24-22(29-30-27(35)28-20-9-4-2-5-10-20)13-8-14-23(24)34-25(19)26(33)32-17-15-31(16-18-32)21-11-6-3-7-12-21/h2-7,9-12H,8,13-18H2,1H3,(H2,28,30,35)/b29-22+