1-[(E)-[1-(4-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-3-phenyl-thiourea

Systemtic Name: 1-[(E)-[1-(4-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-3-phenyl-thiourea Openeye Name: 1-[(E)-[1-(4-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-3-phenyl-thiourea CAS Name: 1-[(E)-[1-(4-butylphenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-3-phenylthiourea IUPAC Name: 1-[(E)-[1-(4-butylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-3-phenylthiourea Traditional Name: 1-[(E)-[1-(4-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-3-phenyl-thiourea Formula: C24H28N4S MolecularWeight: 404.57092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=CC(=C2C)C=NNC(=S)NC3=CC=CC=C3)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=CC(=C2C)/C=N/NC(=S)NC3=CC=CC=C3)C

InChI

InChI=1S/C24H28N4S/c1-4-5-9-20-12-14-23(15-13-20)28-18(2)16-21(19(28)3)17-25-27-24(29)26-22-10-7-6-8-11-22/h6-8,10-17H,4-5,9H2,1-3H3,(H2,26,27,29)/b25-17+