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

Systemtic Name: 1-[(E)-[2-(4-ethylpiperazin-1-yl)carbonyl-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]-3-phenyl-thiourea Openeye Name: 1-[(E)-[2-(4-ethylpiperazine-1-carbonyl)-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]-3-phenyl-thiourea CAS Name: 1-[(E)-[2-[(4-ethyl-1-piperazinyl)-oxomethyl]-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]-3-phenylthiourea IUPAC Name: 1-[(E)-[2-(4-ethylpiperazine-1-carbonyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]-3-phenylthiourea Traditional Name: 1-[(E)-[2-(4-ethylpiperazine-1-carbonyl)-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]-3-phenyl-thiourea Formula: C23H29N5O2S MolecularWeight: 439.57366

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2=C(C3=C(O2)CCCC3=NNC(=S)NC4=CC=CC=C4)C

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2=C(C\3=C(O2)CCC/C3=N\NC(=S)NC4=CC=CC=C4)C

InChI

InChI=1S/C23H29N5O2S/c1-3-27-12-14-28(15-13-27)22(29)21-16(2)20-18(10-7-11-19(20)30-21)25-26-23(31)24-17-8-5-4-6-9-17/h4-6,8-9H,3,7,10-15H2,1-2H3,(H2,24,26,31)/b25-18+