3-[(2S)-butan-2-yl]-1-[(4-dimethylaminophenyl)methyl]-1-(pyridin-2-ylmethyl)thiourea

Systemtic Name: 3-[(2S)-butan-2-yl]-1-[(4-dimethylaminophenyl)methyl]-1-(pyridin-2-ylmethyl)thiourea Openeye Name: 1-[(4-dimethylaminophenyl)methyl]-3-[(1S)-1-methylpropyl]-1-(2-pyridylmethyl)thiourea CAS Name: 3-[(2S)-butan-2-yl]-1-[(4-dimethylaminophenyl)methyl]-1-(2-pyridinylmethyl)thiourea IUPAC Name: 3-[(2S)-butan-2-yl]-1-[(4-dimethylaminophenyl)methyl]-1-(pyridin-2-ylmethyl)thiourea Traditional Name: 1-[4-(dimethylamino)benzyl]-3-[(1S)-1-methylpropyl]-1-(2-pyridylmethyl)thiourea Formula: C20H28N4S MolecularWeight: 356.52812

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=S)N(CC1=CC=C(C=C1)N(C)C)CC2=CC=CC=N2

Isomeric SMILES

CC[C@H](C)NC(=S)N(CC1=CC=C(C=C1)N(C)C)CC2=CC=CC=N2

InChI

InChI=1S/C20H28N4S/c1-5-16(2)22-20(25)24(15-18-8-6-7-13-21-18)14-17-9-11-19(12-10-17)23(3)4/h6-13,16H,5,14-15H2,1-4H3,(H,22,25)/t16-/m0/s1