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

Systemtic Name: 2-[(4-bromanyl-3-methoxy-naphthalen-2-yl)carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(4-bromo-3-methoxy-naphthalene-2-carbonyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[[[(4-bromo-3-methoxy-2-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(4-bromo-3-methoxynaphthalene-2-carbonyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(4-bromo-3-methoxy-2-naphthoyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H20BrN3O3S2 MolecularWeight: 518.4465

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CC=CC=C2C=C1C(=O)NC(=S)NC3=C(C4=C(S3)CCCC4)C(=O)N)Br

Isomeric SMILES

COC1=C(C2=CC=CC=C2C=C1C(=O)NC(=S)NC3=C(C4=C(S3)CCCC4)C(=O)N)Br

InChI

InChI=1S/C22H20BrN3O3S2/c1-29-18-14(10-11-6-2-3-7-12(11)17(18)23)20(28)25-22(30)26-21-16(19(24)27)13-8-4-5-9-15(13)31-21/h2-3,6-7,10H,4-5,8-9H2,1H3,(H2,24,27)(H2,25,26,28,30)