methyl 2-[(1-propan-2-ylpiperidin-4-yl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[(1-propan-2-ylpiperidin-4-yl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(1-isopropyl-4-piperidyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[[(1-propan-2-yl-4-piperidinyl)amino]-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(1-propan-2-ylpiperidin-4-yl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[(1-isopropyl-4-piperidyl)thiocarbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C20H31N3O2S2 MolecularWeight: 409.60904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(CC1)NC(=S)NC2=C(C3=C(S2)CCCCC3)C(=O)OC

Isomeric SMILES

CC(C)N1CCC(CC1)NC(=S)NC2=C(C3=C(S2)CCCCC3)C(=O)OC

InChI

InChI=1S/C20H31N3O2S2/c1-13(2)23-11-9-14(10-12-23)21-20(26)22-18-17(19(24)25-3)15-7-5-4-6-8-16(15)27-18/h13-14H,4-12H2,1-3H3,(H2,21,22,26)