1-[2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoylamino]-3-(3-methylbutyl)thiourea

Systemtic Name: 1-[2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoylamino]-3-(3-methylbutyl)thiourea Openeye Name: 1-[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]-3-isopentyl-thiourea CAS Name: 1-[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-1-oxoethyl]amino]-3-(3-methylbutyl)thiourea IUPAC Name: 1-[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]-3-(3-methylbutyl)thiourea Traditional Name: 1-[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]-3-isoamyl-thiourea Formula: C19H26N4O2S MolecularWeight: 374.50034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=S)NNC(=O)CC1C2=CC=CC=C2C=CN1C(=O)C

Isomeric SMILES

CC(C)CCNC(=S)NNC(=O)C[C@H]1C2=CC=CC=C2C=CN1C(=O)C

InChI

InChI=1S/C19H26N4O2S/c1-13(2)8-10-20-19(26)22-21-18(25)12-17-16-7-5-4-6-15(16)9-11-23(17)14(3)24/h4-7,9,11,13,17H,8,10,12H2,1-3H3,(H,21,25)(H2,20,22,26)/t17-/m0/s1