2-[(3-methoxynaphthalen-2-yl)carbonylcarbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

Systemtic Name: 2-[(3-methoxynaphthalen-2-yl)carbonylcarbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Openeye Name: 2-[(3-methoxynaphthalene-2-carbonyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide CAS Name: 2-[[[[(3-methoxy-2-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide IUPAC Name: 2-[(3-methoxynaphthalene-2-carbonyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Traditional Name: 2-[(3-methoxy-2-naphthoyl)thiocarbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Formula: C23H23N3O3S2 MolecularWeight: 453.57702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=C(C4=C(S3)CCCCC4)C(=O)N

Isomeric SMILES

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=C(C4=C(S3)CCCCC4)C(=O)N

InChI

InChI=1S/C23H23N3O3S2/c1-29-17-12-14-8-6-5-7-13(14)11-16(17)21(28)25-23(30)26-22-19(20(24)27)15-9-3-2-4-10-18(15)31-22/h5-8,11-12H,2-4,9-10H2,1H3,(H2,24,27)(H2,25,26,28,30)