2-[(5-chloranylnaphthalen-1-yl)carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[(5-chloranylnaphthalen-1-yl)carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(5-chloronaphthalene-1-carbonyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[[[(5-chloro-1-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(5-chloronaphthalene-1-carbonyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(5-chloro-1-naphthoyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H18ClN3O2S2 MolecularWeight: 443.96952

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Cl)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Cl)C(=O)N

InChI

InChI=1S/C21H18ClN3O2S2/c22-15-9-4-6-11-12(15)7-3-8-13(11)19(27)24-21(28)25-20-17(18(23)26)14-5-1-2-10-16(14)29-20/h3-4,6-9H,1-2,5,10H2,(H2,23,26)(H2,24,25,27,28)