cyclopropane; S-piperidin-1-yl 4-(butylamino)benzenecarbothioate; dihydrochloride

Systemtic Name: cyclopropane; S-piperidin-1-yl 4-(butylamino)benzenecarbothioate; dihydrochloride Openeye Name: cyclopropane; S-(1-piperidyl) 4-(butylamino)benzenecarbothioate; dihydrochloride CAS Name: 4-(butylamino)benzenecarbothioic acid S-(1-piperidinyl) ester; cyclopropane; dihydrochloride IUPAC Name: cyclopropane; S-piperidin-1-yl 4-(butylamino)benzenecarbothioate; dihydrochloride Traditional Name: 4-(butylamino)thiobenzoic acid S-piperidino ester; cyclopropane; dihydrochloride Formula: C19H32Cl2N2OS MolecularWeight: 407.44118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=C(C=C1)C(=O)SN2CCCCC2.C1CC1.Cl.Cl

Isomeric SMILES

CCCCNC1=CC=C(C=C1)C(=O)SN2CCCCC2.C1CC1.Cl.Cl

InChI

InChI=1S/C16H24N2OS.C3H6.2ClH/c1-2-3-11-17-15-9-7-14(8-10-15)16(19)20-18-12-5-4-6-13-18;1-2-3-1;;/h7-10,17H,2-6,11-13H2,1H3;1-3H2;2*1H