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

Systemtic Name: 1-[(E)-[2-[(tert-butylamino)carbamoyl]-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]-3-phenyl-thiourea Openeye Name: 1-[(E)-[2-[(tert-butylamino)carbamoyl]-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]-3-phenyl-thiourea CAS Name: 1-[(E)-[2-[(tert-butylhydrazo)-oxomethyl]-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]-3-phenylthiourea IUPAC Name: 1-[(E)-[2-[(tert-butylamino)carbamoyl]-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]-3-phenylthiourea Traditional Name: 1-[(E)-[2-[(tert-butylamino)carbamoyl]-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]-3-phenyl-thiourea Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=S)NC3=CC=CC=C3)CCC2)C(=O)NNC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O2S/c1-13-17-15(23-25-20(29)22-14-9-6-5-7-10-14)11-8-12-16(17)28-18(13)19(27)24-26-21(2,3)4/h5-7,9-10,26H,8,11-12H2,1-4H3,(H,24,27)(H2,22,25,29)/b23-15+