1-(4-butylphenyl)-3-[(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)carbonylamino]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)carbonylamino]thiourea Openeye Name: 1-(4-butylphenyl)-3-[(1-isopropyl-2,5-dimethyl-pyrrole-3-carbonyl)amino]thiourea CAS Name: 1-(4-butylphenyl)-3-[[(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-oxomethyl]amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[(1-isopropyl-2,5-dimethyl-pyrrole-3-carbonyl)amino]thiourea Formula: C21H30N4OS MolecularWeight: 386.5541

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=C(N(C(=C2)C)C(C)C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=C(N(C(=C2)C)C(C)C)C

InChI

InChI=1S/C21H30N4OS/c1-6-7-8-17-9-11-18(12-10-17)22-21(27)24-23-20(26)19-13-15(4)25(14(2)3)16(19)5/h9-14H,6-8H2,1-5H3,(H,23,26)(H2,22,24,27)