1-[[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]methylideneamino]-3-ethyl-thiourea

Systemtic Name: 1-[[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]methylideneamino]-3-ethyl-thiourea Openeye Name: 1-[(1-benzyl-2,5-dimethyl-pyrrol-3-yl)methyleneamino]-3-ethyl-thiourea CAS Name: 1-[[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]methylideneamino]-3-ethylthiourea IUPAC Name: 1-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-3-ethylthiourea Traditional Name: 1-[(1-benzyl-2,5-dimethyl-pyrrol-3-yl)methyleneamino]-3-ethyl-thiourea Formula: C17H22N4S MolecularWeight: 314.44838

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NN=CC1=C(N(C(=C1)C)CC2=CC=CC=C2)C

Isomeric SMILES

CCNC(=S)NN=CC1=C(N(C(=C1)C)CC2=CC=CC=C2)C

InChI

InChI=1S/C17H22N4S/c1-4-18-17(22)20-19-11-16-10-13(2)21(14(16)3)12-15-8-6-5-7-9-15/h5-11H,4,12H2,1-3H3,(H2,18,20,22)