3-[[2-chloranyl-4-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)phenyl]-methyl-amino]pyrrolidine-1-carboxamide

Systemtic Name: 3-[[2-chloranyl-4-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)phenyl]-methyl-amino]pyrrolidine-1-carboxamide Openeye Name: 3-[2-chloro-4-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)-N-methyl-anilino]pyrrolidine-1-carboxamide CAS Name: 3-[2-chloro-4-[[(1-cyclohexa-1,5-dienylamino)-sulfanylidenemethyl]amino]-N-methylanilino]-1-pyrrolidinecarboxamide IUPAC Name: 3-[2-chloro-4-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)-N-methylanilino]pyrrolidine-1-carboxamide Traditional Name: 3-[2-chloro-4-(cyclohexa-1,5-dien-1-ylthiocarbamoylamino)-N-methyl-anilino]pyrrolidine-1-carboxamide Formula: C19H24ClN5OS MolecularWeight: 405.94476

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCN(C1)C(=O)N)C2=C(C=C(C=C2)NC(=S)NC3=CCCC=C3)Cl

Isomeric SMILES

CN(C1CCN(C1)C(=O)N)C2=C(C=C(C=C2)NC(=S)NC3=CCCC=C3)Cl

InChI

InChI=1S/C19H24ClN5OS/c1-24(15-9-10-25(12-15)18(21)26)17-8-7-14(11-16(17)20)23-19(27)22-13-5-3-2-4-6-13/h3,5-8,11,15H,2,4,9-10,12H2,1H3,(H2,21,26)(H2,22,23,27)