N-[(4-methoxyphenyl)carbamothioyl]phenoxathiine-2-carboxamide

Systemtic Name: N-[(4-methoxyphenyl)carbamothioyl]phenoxathiine-2-carboxamide Openeye Name: N-[(4-methoxyphenyl)carbamothioyl]phenoxathiine-2-carboxamide CAS Name: N-[(4-methoxyanilino)-sulfanylidenemethyl]-2-phenoxathiinecarboxamide IUPAC Name: N-[(4-methoxyphenyl)carbamothioyl]phenoxathiine-2-carboxamide Traditional Name: N-[(4-methoxyphenyl)thiocarbamoyl]phenoxathiine-2-carboxamide Formula: C21H16N2O3S2 MolecularWeight: 408.49334

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)OC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)OC4=CC=CC=C4S3

InChI

InChI=1S/C21H16N2O3S2/c1-25-15-9-7-14(8-10-15)22-21(27)23-20(24)13-6-11-17-19(12-13)28-18-5-3-2-4-16(18)26-17/h2-12H,1H3,(H2,22,23,24,27)