4-[[2-chloranyl-4-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)phenyl]-methyl-amino]piperidine-1-carboxamide

Systemtic Name: 4-[[2-chloranyl-4-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)phenyl]-methyl-amino]piperidine-1-carboxamide Openeye Name: 4-[2-chloro-4-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)-N-methyl-anilino]piperidine-1-carboxamide CAS Name: 4-[2-chloro-4-[[(1-cyclohexa-1,5-dienylamino)-sulfanylidenemethyl]amino]-N-methylanilino]-1-piperidinecarboxamide IUPAC Name: 4-[2-chloro-4-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)-N-methylanilino]piperidine-1-carboxamide Traditional Name: 4-[2-chloro-4-(cyclohexa-1,5-dien-1-ylthiocarbamoylamino)-N-methyl-anilino]piperidine-1-carboxamide Formula: C20H26ClN5OS MolecularWeight: 419.97134

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCN(CC1)C(=O)N)C2=C(C=C(C=C2)NC(=S)NC3=CCCC=C3)Cl

Isomeric SMILES

CN(C1CCN(CC1)C(=O)N)C2=C(C=C(C=C2)NC(=S)NC3=CCCC=C3)Cl

InChI

InChI=1S/C20H26ClN5OS/c1-25(16-9-11-26(12-10-16)19(22)27)18-8-7-15(13-17(18)21)24-20(28)23-14-5-3-2-4-6-14/h3,5-8,13,16H,2,4,9-12H2,1H3,(H2,22,27)(H2,23,24,28)