propan-2-yl 3-(3-propylphenyl)carbothioyl-5,6,7,8-tetrahydro-3H-pyrrolo[1,2-a]azepine-8-carboxylate

Systemtic Name: propan-2-yl 3-(3-propylphenyl)carbothioyl-5,6,7,8-tetrahydro-3H-pyrrolo[1,2-a]azepine-8-carboxylate Openeye Name: isopropyl 3-(3-propylbenzenecarbothioyl)-5,6,7,8-tetrahydro-3H-pyrrolo[1,2-a]azepine-8-carboxylate CAS Name: 3-[(3-propylphenyl)-sulfanylidenemethyl]-5,6,7,8-tetrahydro-3H-pyrrolo[1,2-a]azepine-8-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(3-propylbenzenecarbothioyl)-5,6,7,8-tetrahydro-3H-pyrrolo[1,2-a]azepine-8-carboxylate Traditional Name: 3-(3-propylthiobenzoyl)-5,6,7,8-tetrahydro-3H-pyrrol[1,2-a]azepine-8-carboxylic acid isopropyl ester Formula: C23H29NO2S MolecularWeight: 383.54686

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC(=C1)C(=S)C2C=CC3=CC(CCCN23)C(=O)OC(C)C

Isomeric SMILES

CCCC1=CC=CC(=C1)C(=S)C2C=CC3=CC(CCCN23)C(=O)OC(C)C

InChI

InChI=1S/C23H29NO2S/c1-4-7-17-8-5-9-18(14-17)22(27)21-12-11-20-15-19(10-6-13-24(20)21)23(25)26-16(2)3/h5,8-9,11-12,14-16,19,21H,4,6-7,10,13H2,1-3H3