1-butan-2-yl-1-(1H-indol-3-ylmethyl)-3-(3-methylphenyl)thiourea

Systemtic Name: 1-butan-2-yl-1-(1H-indol-3-ylmethyl)-3-(3-methylphenyl)thiourea Openeye Name: 1-(1H-indol-3-ylmethyl)-3-(m-tolyl)-1-sec-butyl-thiourea CAS Name: 1-butan-2-yl-1-(1H-indol-3-ylmethyl)-3-(3-methylphenyl)thiourea IUPAC Name: 1-butan-2-yl-1-(1H-indol-3-ylmethyl)-3-(3-methylphenyl)thiourea Traditional Name: 1-(1H-indol-3-ylmethyl)-3-(m-tolyl)-1-sec-butyl-thiourea Formula: C21H25N3S MolecularWeight: 351.5083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CNC2=CC=CC=C21)C(=S)NC3=CC=CC(=C3)C

Isomeric SMILES

CCC(C)N(CC1=CNC2=CC=CC=C21)C(=S)NC3=CC=CC(=C3)C

InChI

InChI=1S/C21H25N3S/c1-4-16(3)24(21(25)23-18-9-7-8-15(2)12-18)14-17-13-22-20-11-6-5-10-19(17)20/h5-13,16,22H,4,14H2,1-3H3,(H,23,25)