cyclopropane; S-piperidin-1-yl 4-azanyl-2-butoxy-benzenecarbothioate; hydrochloride

Systemtic Name: cyclopropane; S-piperidin-1-yl 4-azanyl-2-butoxy-benzenecarbothioate; hydrochloride Openeye Name: cyclopropane; S-(1-piperidyl) 4-amino-2-butoxy-benzenecarbothioate; hydrochloride CAS Name: 4-amino-2-butoxybenzenecarbothioic acid S-(1-piperidinyl) ester; cyclopropane; hydrochloride IUPAC Name: cyclopropane; S-piperidin-1-yl 4-amino-2-butoxybenzenecarbothioate; hydrochloride Traditional Name: 4-amino-2-butoxy-thiobenzoic acid S-piperidino ester; cyclopropane; hydrochloride Formula: C19H31ClN2O2S MolecularWeight: 386.97964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)N)C(=O)SN2CCCCC2.C1CC1.Cl

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)N)C(=O)SN2CCCCC2.C1CC1.Cl

InChI

InChI=1S/C16H24N2O2S.C3H6.ClH/c1-2-3-11-20-15-12-13(17)7-8-14(15)16(19)21-18-9-5-4-6-10-18;1-2-3-1;/h7-8,12H,2-6,9-11,17H2,1H3;1-3H2;1H