N-[[3-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]thiophene-2-carboxamide

Systemtic Name: N-[[3-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[3-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[[3-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[3-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[4-keto-3-(5-methyl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]thiocarbamoyl]thiophene-2-carboxamide Formula: C20H15N3O3S2 MolecularWeight: 409.4814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C3C=C(C=CC3=O)NC(=S)NC(=O)C4=CC=CS4)N2

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=C3C=C(C=CC3=O)NC(=S)NC(=O)C4=CC=CS4)N2

InChI

InChI=1S/C20H15N3O3S2/c1-11-4-7-16-14(9-11)22-19(26-16)13-10-12(5-6-15(13)24)21-20(27)23-18(25)17-3-2-8-28-17/h2-10,22H,1H3,(H2,21,23,25,27)