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

Systemtic Name: 1-[(E)-(3-methyl-2-piperidin-1-ylcarbonyl-6,7-dihydro-5H-1-benzofuran-4-ylidene)amino]thiourea Openeye Name: [(E)-[3-methyl-2-(piperidine-1-carbonyl)-6,7-dihydro-5H-benzofuran-4-ylidene]amino]thiourea CAS Name: [(E)-[3-methyl-2-[oxo(1-piperidinyl)methyl]-6,7-dihydro-5H-benzofuran-4-ylidene]amino]thiourea IUPAC Name: [(E)-[3-methyl-2-(piperidine-1-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]thiourea Traditional Name: [(E)-[3-methyl-2-(piperidine-1-carbonyl)-6,7-dihydro-5H-benzofuran-4-ylidene]amino]thiourea Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=S)N)CCC2)C(=O)N3CCCCC3

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=S)N)/CCC2)C(=O)N3CCCCC3

InChI

InChI=1S/C16H22N4O2S/c1-10-13-11(18-19-16(17)23)6-5-7-12(13)22-14(10)15(21)20-8-3-2-4-9-20/h2-9H2,1H3,(H3,17,19,23)/b18-11+