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

Systemtic Name: 1-[(E)-[3-methyl-2-(phenylazanylcarbamoyl)-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]thiourea Openeye Name: [(E)-[2-(anilinocarbamoyl)-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]thiourea CAS Name: [(E)-[3-methyl-2-[oxo-(phenylhydrazo)methyl]-6,7-dihydro-5H-benzofuran-4-ylidene]amino]thiourea IUPAC Name: [(E)-[2-(anilinocarbamoyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]thiourea Traditional Name: [(E)-[2-(anilinocarbamoyl)-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]thiourea Formula: C17H19N5O2S MolecularWeight: 357.43006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=S)N)CCC2)C(=O)NNC3=CC=CC=C3

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=S)N)/CCC2)C(=O)NNC3=CC=CC=C3

InChI

InChI=1S/C17H19N5O2S/c1-10-14-12(20-22-17(18)25)8-5-9-13(14)24-15(10)16(23)21-19-11-6-3-2-4-7-11/h2-4,6-7,19H,5,8-9H2,1H3,(H,21,23)(H3,18,22,25)/b20-12+