1-cycloheptyl-1-[[1-[(2,4-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(3-ethylphenyl)thiourea

Systemtic Name: 1-cycloheptyl-1-[[1-[(2,4-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(3-ethylphenyl)thiourea Openeye Name: 1-cycloheptyl-1-[[1-[(2,4-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(3-ethylphenyl)thiourea CAS Name: 1-cycloheptyl-1-[[1-[(2,4-dimethylphenyl)methyl]-2-pyrrolyl]methyl]-3-(3-ethylphenyl)thiourea IUPAC Name: 1-cycloheptyl-1-[[1-[(2,4-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(3-ethylphenyl)thiourea Traditional Name: 1-cycloheptyl-1-[[1-(2,4-dimethylbenzyl)pyrrol-2-yl]methyl]-3-(3-ethylphenyl)thiourea Formula: C30H39N3S MolecularWeight: 473.71576

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)N(CC2=CC=CN2CC3=C(C=C(C=C3)C)C)C4CCCCCC4

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)N(CC2=CC=CN2CC3=C(C=C(C=C3)C)C)C4CCCCCC4

InChI

InChI=1S/C30H39N3S/c1-4-25-11-9-12-27(20-25)31-30(34)33(28-13-7-5-6-8-14-28)22-29-15-10-18-32(29)21-26-17-16-23(2)19-24(26)3/h9-12,15-20,28H,4-8,13-14,21-22H2,1-3H3,(H,31,34)