1-[1-(1-adamantyl)pyrazol-3-yl]-3-[4-[(2S)-butan-2-yl]phenyl]thiourea

Systemtic Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-[4-[(2S)-butan-2-yl]phenyl]thiourea Openeye Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-[4-[(1S)-1-methylpropyl]phenyl]thiourea CAS Name: 1-[1-(1-adamantyl)-3-pyrazolyl]-3-[4-[(2S)-butan-2-yl]phenyl]thiourea IUPAC Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-[4-[(2S)-butan-2-yl]phenyl]thiourea Traditional Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-[4-[(1S)-1-methylpropyl]phenyl]thiourea Formula: C24H32N4S MolecularWeight: 408.60268

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=NN(C=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NC(=S)NC2=NN(C=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H32N4S/c1-3-16(2)20-4-6-21(7-5-20)25-23(29)26-22-8-9-28(27-22)24-13-17-10-18(14-24)12-19(11-17)15-24/h4-9,16-19H,3,10-15H2,1-2H3,(H2,25,26,27,29)/t16-,17?,18?,19?,24?/m0/s1