1-[2,6-di(butan-2-yl)phenyl]-3-(1-methylcyclopentyl)thiourea

Systemtic Name: 1-[2,6-di(butan-2-yl)phenyl]-3-(1-methylcyclopentyl)thiourea Openeye Name: 1-(2,6-disec-butylphenyl)-3-(1-methylcyclopentyl)thiourea CAS Name: 1-[2,6-di(butan-2-yl)phenyl]-3-(1-methylcyclopentyl)thiourea IUPAC Name: 1-[2,6-di(butan-2-yl)phenyl]-3-(1-methylcyclopentyl)thiourea Traditional Name: 1-(2,6-disec-butylphenyl)-3-(1-methylcyclopentyl)thiourea Formula: C21H34N2S MolecularWeight: 346.57306

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C(C(=CC=C1)C(C)CC)NC(=S)NC2(CCCC2)C

Isomeric SMILES

CCC(C)C1=C(C(=CC=C1)C(C)CC)NC(=S)NC2(CCCC2)C

InChI

InChI=1S/C21H34N2S/c1-6-15(3)17-11-10-12-18(16(4)7-2)19(17)22-20(24)23-21(5)13-8-9-14-21/h10-12,15-16H,6-9,13-14H2,1-5H3,(H2,22,23,24)