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

Systemtic Name: 1-[(E)-[3-methyl-2-(4-phenylpiperazin-1-yl)carbonyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]thiourea Openeye Name: [(E)-[3-methyl-2-(4-phenylpiperazine-1-carbonyl)-6,7-dihydro-5H-benzofuran-4-ylidene]amino]thiourea CAS Name: [(E)-[3-methyl-2-[oxo-(4-phenyl-1-piperazinyl)methyl]-6,7-dihydro-5H-benzofuran-4-ylidene]amino]thiourea IUPAC Name: [(E)-[3-methyl-2-(4-phenylpiperazine-1-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]thiourea Traditional Name: [(E)-[3-methyl-2-(4-phenylpiperazine-1-carbonyl)-6,7-dihydro-5H-benzofuran-4-ylidene]amino]thiourea Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=S)N)CCC2)C(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=S)N)/CCC2)C(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H25N5O2S/c1-14-18-16(23-24-21(22)29)8-5-9-17(18)28-19(14)20(27)26-12-10-25(11-13-26)15-6-3-2-4-7-15/h2-4,6-7H,5,8-13H2,1H3,(H3,22,24,29)/b23-16+